SCHEMBL7744874

SCHEMBL7744874

COCc1c(C(=O)NNc2ccc(Cl)c(Cl)c2)cnn1-c1ccnc2cc(Cl)ccc12

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 8/20 0.44
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
CCR5 P51681 1/20 0.41
IDE P14735 1/20 0.41
CLK1 P49759 1/20 0.40
KDM4E B2RXH2 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7744782 0.91 GAA (0.53) MALT1GAAMAPTCCR5IDE
SCHEMBL7744834 0.90 GAA (0.46) MALT1GAAMAPTCCR5IDE
SCHEMBL7745222 0.88 GAA (0.47) MALT1GAAMAPTCCR5IDE
SCHEMBL7745400 0.88 KDM4E (0.43) MALT1GAAMAPTCCR5IDE
SCHEMBL7744827 0.87 KDM4E (0.49) MALT1GAAMAPTCCR5IDE
SCHEMBL7744853 0.86 MAPT (0.46) MALT1GAAMAPTCCR5IDE
SCHEMBL7745335 0.84 KMT2A (0.45) MAPTCCR5IDECLK1KDM4E
SCHEMBL7744802 0.83 CCR5 (0.47) GAAMAPTCCR5IDECLK1
SCHEMBL7744743 0.81 CCR5 (0.43) MAPTCCR5IDECLK1KDM4E
SCHEMBL7745248 0.79 CCR5 (0.45) GAAMAPTCCR5IDECLK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001002385-A1 1-(QUINOLIN-4-YL)-1H-PYRAZOLE DERIVATIVES AND THEIR USE AS FUNGICIDES AVENTIS CROPSCIENCE S.A. (FR) 2001-01-11 WO claimed
WO-2001002385-A1 1-(QUINOLIN-4-YL)-1H-PYRAZOLE DERIVATIVES AND THEIR USE AS FUNGICIDES AVENTIS CROPSCIENCE S.A. (FR) 2001-01-11 WO disclosed